N-cyclohexyl-1-methylbenzotriazole-5-carboxamide

C14H18N4O — CID 900740

IUPACN-cyclohexyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,19)
InChIKeyKQKKEHWETUMQMZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds2

About N-cyclohexyl-1-methylbenzotriazole-5-carboxamide

N-cyclohexyl-1-methylbenzotriazole-5-carboxamide (PubChem CID 900740) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclohexyl-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methylbenzotriazole-5-carboxamide
PubChem CID900740
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-cyclohexyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,19)
InChIKeyKQKKEHWETUMQMZ-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-methylbenzotriazole-5-carboxamide (CID 900740) is N-cyclohexyl-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)NC3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-1-methylbenzotriazole-5-carboxamide?
The InChIKey is KQKKEHWETUMQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,19).
What are the key properties of N-cyclohexyl-1-methylbenzotriazole-5-carboxamide?
N-cyclohexyl-1-methylbenzotriazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 900740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).